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CHEBI:189488 - N-(2-furylmethyl)-3-[(2s,5as,8ar)-1-methyl-5-oxodecahydropyrrolo[3,2-e][1,4]diazepin-2-yl]propanamide

ChEBI IDCHEBI:189488
ChEBI NameN-(2-furylmethyl)-3-[(2s,5as,8ar)-1-methyl-5-oxodecahydropyrrolo[3,2-e][1,4]diazepin-2-yl]propanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24N4O3
Net Charge0
Average Mass320.393
Monoisotopic Mass320.18484
SMILES[H][C@@]12CCN[C@]1([H])C(=O)NC[C@H](CCC(=O)NCc1ccco1)N2C
InChIInChI=1S/C16H24N4O3/c1-20-11(9-19-16(22)15-13(20)6-7-17-15)4-5-14(21)18-10-12-3-2-8-23-12/h2-3,8,11,13,15,17H,4-7,9-10H2,1H3,(H,18,21)(H,19,22)/t11-,13+,15-/m0/s1
InChIKeySYFIXHYEHHLRGF-LNSITVRQSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
N-(2-furylmethyl)-3-[(2s,5as,8ar)-1-methyl-5-oxodecahydropyrrolo[3,2-e][1,4]diazepin-2-yl]propanamide (CHEBI:189488) is a diazepine (CHEBI:47918)
IUPAC Name 
3-[(2S,5aS,8aR)-1-methyl-5-oxo-2,3,4,5a,6,7,8,8a-octahydropyrrolo[3,2-e][1,4]diazepin-2-yl]-N-(uran-2-ylmethyl)propanamide
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21382995ChemSpider